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33103-93-4 molecular structure
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3-methyladamantan-1-amine

ChemBase ID: 61303
Molecular Formular: C11H19N
Molecular Mass: 165.27526
Monoisotopic Mass: 165.15174961
SMILES and InChIs

SMILES:
C1C2CC3(CC1CC(C3)(C2)C)N
Canonical SMILES:
CC12CC3CC(C1)CC(C2)(C3)N
InChI:
InChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKey:
MWMFMCTUGUZSJJ-UHFFFAOYSA-N

Cite this record

CBID:61303 http://www.chembase.cn/molecule-61303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyladamantan-1-amine
IUPAC Traditional name
1-aminoadamatane, 3-methyl
Synonyms
(3-Methyl-1-adamantyl)amine hydrochloride
3-Methyltricyclo[3.3.1.13,7]decan-1-amine Hydrochloride
3-Methyl-1-adamantanamine Hydrochloride
Demethyl Memantine Hydrochloride
CAS Number
33103-93-4
MDL Number
MFCD00667532
PubChem SID
162027044
PubChem CID
3010128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3010128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2642046  LogD (pH = 7.4) -1.0809547 
Log P 1.7659947  Molar Refractivity 50.0107 cm3
Polarizability 20.35101 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
WHite Solid expand Show data source
Melting Point
297-300°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D231160 external link
An analogue of Adamantane used as medicinal agent.

REFERENCES

REFERENCES

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  • • Wesemann, W., et al.: Eur. J. Cell Biol., 26, 158 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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